(1s 2 2s 2 2p 4 5d 1 ) 4 F Na 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4352.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5d- electron | |
| 1 | 3d | .795090 | 1.33267122 |
| 2 | 4d | .620865 | -4.94202206 |
| 3 | 5d | .607228 | 4.32431838 |
| 4 | 3d | 1.887971 | .06749590 |
| 5 | 5d | 2.820412 | -.01811780 |
| 6 | 4d | 5.441314 | .00659523 |
| 7 | 5d | 9.515455 | .00029224 |
| 8 | 3d | 7.517486 | .00146942 |
| ORB.ENERGY,a.u. | -.185060 | ||
| NORM | 1.000011 | < R > | 11.114256 | < R2 > | 140.678173 | < 1/R > | .128135 | < 1/R**2 > | .036417 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 3.198036 | 1.35841907 |
| 2 | 3p | 3.884648 | -.42521683 |
| 3 | 2p | 8.542956 | .06381887 |
| 4 | 4p | 9.714497 | .01782235 |
| 5 | 5p | 44.413474 | .00002724 |
| 6 | 5p | 2.434609 | .02638660 |
| 7 | 4p | 65.266693 | .00000843 |
| 8 | 4p | 2.151153 | -.02937484 |
| ORB.ENERGY,a.u. | -3.419500 | ||
| NORM | 1.000000 | < R > | .689404 | < R2 > | .592047 | < 1/R > | 1.895992 | < 1/R**2 > | 5.053582 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 9.074190 | .33494368 |
| 2 | 2s | 4.232917 | -.82953221 |
| 3 | 3s | 3.566710 | -.29469458 |
| 4 | 4s | 13.981792 | .01098472 |
| 5 | 3s | 15.562917 | .00442437 |
| 6 | 5s | 28.879317 | .00034271 |
| 7 | 5s | 2.823310 | -.00054393 |
| ORB.ENERGY,a.u. | -3.726900 | ||
| NORM | 1.000000 | < R > | .727599 | < R2 > | .629048 | < 1/R > | 1.992314 | < 1/R**2 > | 16.297595 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 10.243691 | .91123643 |
| 2 | 1s | 15.432397 | .08737141 |
| 3 | 2s | 5.654568 | .01837115 |
| 4 | 3s | 7.093686 | -.01930374 |
| 5 | 4s | 9.046574 | .00951070 |
| 6 | 5s | 26.198579 | .00114856 |
| 7 | 4s | 61.701316 | -.00004735 |
| ORB.ENERGY,a.u. | -41.160000 |
| NORM | 1.000000 | < R > | .142636 | < R2 > | .027371 | < 1/R > | 10.617087 | < 1/R**2 > | 227.846956 |
Total Energy= -157.60897479 a.u.
Kinetic Energy= 157.60879378 a.u.
Potential Energy= -315.21776857 a.u.
Virial Ratio = -2.00000115